Geometry & MOs

Info

ID:	247479
PubChem CID:	103071744
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	34.51
Dipole, Da:	5.73
IP(EA), eV:	-8.49(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(methylaminomethyl)prop-2-enyl]-2H-phthalazine-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)CC(=C)CNC(C)C

DOS

IR

Vibrations